CID 3057560

Chlorotropacin, hydrochloride

Structural Information

Molecular Formula
C22H24ClNO2
SMILES
CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H24ClNO2/c1-24-18-11-12-19(24)14-20(13-18)26-22(25)21(15-5-3-2-4-6-15)16-7-9-17(23)10-8-16/h2-10,18-21H,11-14H2,1H3
InChIKey
KWQCDVBTWNVKET-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.14957 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15685 189.9
[M+Na]+ 392.13879 194.8
[M-H]- 368.14229 196.4
[M+NH4]+ 387.18339 204.3
[M+K]+ 408.11273 188.5
[M+H-H2O]+ 352.14683 181.1
[M+HCOO]- 414.14777 200.0
[M+CH3COO]- 428.16342 198.5
[M+Na-2H]- 390.12424 188.0
[M]+ 369.14902 189.5
[M]- 369.15012 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.